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L12 CRE II Heterogeneous Catalysis: Prof. K.K.Pant Department of Chemical Engineering IIT Delhi

This document discusses heterogeneous catalysis experiments using aluminum oxide and n-pentane or i-pentane. It provides a suggested reaction mechanism and rate laws for each step. It also discusses using regression analysis to verify if experimental data fits the rate law, and how to determine if the fit is reasonable. Finally, it covers designing a fixed bed reactor for these reactions and calculating the catalyst weight needed based on the rate data and desired conversion.

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Mehul Varshney
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139 views13 pages

L12 CRE II Heterogeneous Catalysis: Prof. K.K.Pant Department of Chemical Engineering IIT Delhi

This document discusses heterogeneous catalysis experiments using aluminum oxide and n-pentane or i-pentane. It provides a suggested reaction mechanism and rate laws for each step. It also discusses using regression analysis to verify if experimental data fits the rate law, and how to determine if the fit is reasonable. Finally, it covers designing a fixed bed reactor for these reactions and calculating the catalyst weight needed based on the rate data and desired conversion.

Uploaded by

Mehul Varshney
Copyright
© Attribution Non-Commercial (BY-NC)
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
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L12 CRE II Heterogeneous

Catalysis
Prof. K.K.Pant
Department of Chemical Engineering
IIT Delhi.
[email protected]
2
Exercise: Al
2
O
3

n-pentane i-Pentane
Suggested Mechanism:
N + o No
No + o Io + o
Io I + o
Rate laws for each of the steps:
N A V N A
k p k Adsorption of rate Net u u

=
v I S v N S
k k reaction Surface of rate Net u u u u

=
V I D I D
p k k Desorption of rate Net u u

=
3
Case-1
Case-2
N S A N A
eq
I
N S A D
N
p K K p K
K
p
p K K k
r
+ +

=
1
) (
2
) / 1 (
) (
D I N A
eq
I
N A S
N
K p p K
K
p
p K k
r
+ +

=
D
I
D S
I
eq
I
N A
N
K
p
K K
p
K
p
p k
r
+ +

=
1
) (
N A
p k r =
0
2
0
) 1 (
N A
N A S
p K
p K k
r
+
=
Case-3
N S A N A
N S A D
p K K p K
p K K k
r
+ +
=
1
0
n-pentane (N) i-Pentane (I)
4
EXERCISE
5
How to verify whether the rate law confirms
to experimental data or not ??
D
B
C A
eq
B P
C A S
C
K
p
p K
K
p p
p K k
r
+ +

=
1
) (
A S
D
B
C A
C
eq
B P
C
K k
K
p
p K
r
K
p p
p
+ +
=

1
B C
C
eq
B P
C
cp bp a
r
K
p p
p
+ + =

Use regression
How to decide whether the fit is reasonable
??
If the fit is reasonable, evaluate the
constants
6
Design of Fixed Bed Reactor:
7
Design Equation (Reading Assignment Ch.10 (10.4 -10.6 ) Fogler IV
General Mass Balance Equation:
Rate of input = rate of output + accumulation
+ rate of disappearance
F
A
= F
A
+ dF
A
+ 0 + (-r
A
) dW
- dF
A
= (-r
A
) dW

F
A0
dx
A
= (-r
A
) dW
dW
A A
r dW dF = /
8
}
=
A
x
A A A
r dx F W
0
0
/ /
General design equation for a FBR:
dt
dN
W Weight unit time unit
d disappeare A of Moles
r
A
A
1
) )( (

= =
Definition of rate of reaction:
When the rate is expressed in terms of catalyst weight,
mass transfer effects between the catalyst and the bulk
fluid & also within the catalyst are ignored. Such mass
transfer aspects could be important in some cases.

9
Fixed Bed Reactor Integral form
}
=
A
x
A A A
r dx F W
0
0
/ /
1 /-r
A
x
A

W / F
A0
10
Fixed Bed Reactor differential form
A A
r dW dF = /
F
A
W
-r
A x
A
W/F
A0

-r
A
A A A
r dW dx F = /
0
11
How to find the rate data ??
How can we calculate the weight of
the catalyst needed for obtaining the
given conversion ??
D
B
A A
eq
B C
A A S
A
K
p
p K
K
p p
p K k
r
+ +

=
1
) (
}
=
A
x
A A A
r dx F W
0
0
/ /
Express the partial pressures in terms of x
A

A A
A
A
A
x
x
p
p
c +

=
1
1
0 A A
A R
A
R
x
x a r M
p
p
c +
+
=
1
) / (
0
) (
A A
x f r =
Use numerical / graphical integration
12
Finding a Mechanism consistent with the experimental data
Deducing Rate law from experimental data (Example 10.2 , 10.3:
Example : Hydrodemethylation of Toluene
13
Use of Multiple regression technique (Rate or CONVERSION Data from
Differential reactor identical to CSTR)

Y = a
0
+ a
1
X
1J
+ a
2
X
2J



A
0
, a
1
are the parameters of the model.

Use regression methods / Polymath, MATLAB,
etc.

k, K
B
, K
T
are the parameters of the equation
Evaluation of Rate law Parameters

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